(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol

C20H24OS — CID 10892349

IUPAC(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol
SMILESC/C(=C\c1ccccc1SC(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C20H24OS/c1-15(19(21)16-10-6-5-7-11-16)14-17-12-8-9-13-18(17)22-20(2,3)4/h5-14,19,21H,1-4H3/b15-14+
InChIKeyGJERHNSBGGWEAN-CCEZHUSRSA-N
MW312.48 g/mol
LogP5.71
Rot. Bonds4

About (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol

(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol (PubChem CID 10892349) has the molecular formula C20H24OS and a molecular weight of 312.48 g/mol. Its IUPAC name is (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol
PubChem CID10892349
Molecular FormulaC20H24OS
Molecular Weight312.48 g/mol
Exact Mass312.15
IUPAC Name(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol
SMILESC/C(=C\c1ccccc1SC(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C20H24OS/c1-15(19(21)16-10-6-5-7-11-16)14-17-12-8-9-13-18(17)22-20(2,3)4/h5-14,19,21H,1-4H3/b15-14+
InChIKeyGJERHNSBGGWEAN-CCEZHUSRSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(2-tert-butylsulfanylphenyl)-2-methylprop-2-enoic acid
CID 170872977
1-tert-butylsulfanyl-2-ethenylbenzene
CID 58851200
(E)-1-(2-tert-butylsulfanylphenyl)-3-methyl-2-phenylpent-1-en-3-ol
CID 10925866
(Z)-3-(2-tert-butylsulfanylphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 134101387
1-(2-tert-butylsulfanylphenyl)-N-[3-[(2-tert-butylsulfanylphenyl)methylideneamino]-2,2-dimethylpropyl]methanimine
CID 67981669
(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
CID 121450876
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
(E)-3-(2-tert-butylsulfanylphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 134104600
(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
CID 59925983
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)propan-2-ol
CID 171271209
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol?
The IUPAC name of (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol (CID 10892349) is (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol is C/C(=C\c1ccccc1SC(C)(C)C)C(O)c1ccccc1.
What is the InChIKey of (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol?
The InChIKey is GJERHNSBGGWEAN-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H24OS/c1-15(19(21)16-10-6-5-7-11-16)14-17-12-8-9-13-18(17)22-20(2,3)4/h5-14,19,21H,1-4H3/b15-14+.
What are the key properties of (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol?
(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol has a molecular weight of 312.48 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol is sourced from PubChem (CID 10892349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).